17758987 -OEChem-04242408223D 66 70 0 0 0 0 0 0 0999 V2000 -1.9295 0.3981 2.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 0.2083 2.7776 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2444 -2.5102 -0.2611 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5907 6.2318 -0.4149 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.1377 -0.8604 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 0.7120 1.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7436 0.4443 -0.7066 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7622 -1.2093 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -0.0817 0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 0.2630 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2059 -1.5519 -0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0606 -2.8998 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2653 0.8231 1.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7978 0.9072 0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 0.7706 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 0.3903 1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 -3.3085 -1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 2.2474 0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0222 -1.0999 -1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7467 -2.3262 0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0319 -3.2522 1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1556 1.2321 0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 0.9655 -1.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3793 -1.4219 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1038 -2.6482 0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -4.0696 -0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9201 -2.1961 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -2.9460 -2.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6627 3.2249 1.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1176 2.6089 -0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0664 -4.0132 1.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1296 -4.4220 0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8349 1.4236 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1582 1.2907 -1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7427 4.5639 1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1978 3.9479 -0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5103 4.9254 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0211 -2.0154 -1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3435 6.5310 -1.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3557 -2.4875 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 0.8116 2.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6138 -0.4954 -2.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 -2.6841 1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2201 -2.9522 1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6896 1.3373 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 0.8641 -2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9557 -1.0380 -2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5198 -3.2504 1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 -4.3971 -1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8428 2.9616 2.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8906 1.8694 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3886 -3.4639 -3.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 -1.8656 -2.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1374 -3.2258 -3.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0445 -4.2874 2.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 -5.0145 1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 1.6763 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 1.4397 -2.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 5.3212 2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0098 4.1585 -2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0491 -0.9204 -1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6837 -2.4305 -2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0491 -2.3599 -1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 7.6143 -1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 6.0640 -2.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3184 6.2758 -2.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 16 2 0 0 0 0 3 27 1 0 0 0 0 3 38 1 0 0 0 0 4 37 1 0 0 0 0 4 39 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 40 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 41 1 0 0 0 0 7 10 2 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 12 17 1 0 0 0 0 12 21 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 23 2 0 0 0 0 17 26 2 0 0 0 0 17 28 1 0 0 0 0 18 29 2 0 0 0 0 18 30 1 0 0 0 0 19 24 1 0 0 0 0 19 42 1 0 0 0 0 20 25 2 0 0 0 0 20 43 1 0 0 0 0 21 31 1 0 0 0 0 21 44 1 0 0 0 0 22 33 1 0 0 0 0 22 45 1 0 0 0 0 23 34 1 0 0 0 0 23 46 1 0 0 0 0 24 27 2 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 32 1 0 0 0 0 26 49 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 35 1 0 0 0 0 29 50 1 0 0 0 0 30 36 2 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 35 37 2 0 0 0 0 35 59 1 0 0 0 0 36 37 1 0 0 0 0 36 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 M END > 17758987 > 1 > 1 19 43 94 32 56 92 71 69 88 22 51 83 4 99 17 63 41 81 31 78 14 103 66 89 45 84 111 38 101 115 82 100 96 20 119 80 15 112 7 97 61 73 49 27 52 37 68 72 30 53 16 75 77 76 26 6 59 28 12 11 42 107 23 70 25 114 29 50 47 108 85 8 18 117 104 110 65 121 79 44 60 36 120 125 91 87 98 55 57 93 123 116 62 67 5 109 48 9 86 21 118 13 34 10 90 24 39 106 33 74 122 113 105 3 46 35 40 102 124 64 95 2 54 58 > 57 1 -0.57 10 0.44 11 0.03 12 0.1 13 0.47 14 0.12 15 0.18 16 0.63 17 -0.14 18 0.09 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 0.08 28 0.14 29 -0.15 3 -0.36 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 -0.15 35 -0.15 36 -0.15 37 0.08 38 0.28 39 0.28 4 -0.36 40 0.4 41 0.37 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.6 50 0.15 51 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.55 60 0.15 7 -0.63 8 0.07 9 0.03 > 8 > 13 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 5 donor 1 6 donor 1 7 acceptor 6 11 19 20 24 25 27 rings 6 12 17 21 26 31 32 rings 6 14 15 22 23 33 34 rings 6 18 29 30 35 36 37 rings 6 6 7 10 14 15 16 rings > 39 > 0 > 0 > 1 > 0 > 0 > 1 > 8 > 010EFB0B00000001 > 164.0441 > 66.006 > 10190108 129 18198087908950495435 10190206 1 18336845160069094156 102385 1 18194964041580674686 10675989 125 18339082721407017548 11421498 54 18409443712989214811 11578080 2 18114739330922157015 12058002 1 17460059385916727350 12788726 201 18334286591451517736 133893 2 18261952926023078666 13617811 41 18339079418798518076 13911987 19 18045236074209600886 140371 6 18268439112787534387 14725015 67 18270394010112641576 14955137 171 18051700129034518571 15198563 99 18410860979478701645 15219462 58 17983824892719221008 15439362 3 17762613998356780260 15664445 248 18339082721512317525 20600515 1 17910656989247057896 22311459 1 18265894851597700831 23558518 356 18192426360069515219 266924 87 18411419492592871782 283562 15 18411425033269644592 3178227 256 18050297156877903555 3388396 114 18338248132025730054 340366 18 17689720757773839752 4066623 53 18123725601549766189 469060 322 18339095885576719185 57527306 92 17970052551724277276 > 764.18 10.19 8.4 2.04 4.17 10.54 -0.11 -5.99 3.94 4.26 1.6 -0.77 0.2 -1 > 1690.738 > 407 > 2 5 10 $$$$